N-(2-methoxyethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

C10H12N6O5 — CID 17082806

IUPACN-(2-methoxyethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCNC(=O)c1nc(Cn2cc([N+](=O)[O-])cn2)no1
InChIInChI=1S/C10H12N6O5/c1-20-3-2-11-9(17)10-13-8(14-21-10)6-15-5-7(4-12-15)16(18)19/h4-5H,2-3,6H2,1H3,(H,11,17)
InChIKeyHMGIHRRUUVNRSQ-UHFFFAOYSA-N
MW296.24 g/mol
LogP-0.40
Rot. Bonds7

About N-(2-methoxyethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

N-(2-methoxyethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 17082806) has the molecular formula C10H12N6O5 and a molecular weight of 296.24 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID17082806
Molecular FormulaC10H12N6O5
Molecular Weight296.24 g/mol
Exact Mass296.09
IUPAC NameN-(2-methoxyethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCNC(=O)c1nc(Cn2cc([N+](=O)[O-])cn2)no1
InChIInChI=1S/C10H12N6O5/c1-20-3-2-11-9(17)10-13-8(14-21-10)6-15-5-7(4-12-15)16(18)19/h4-5H,2-3,6H2,1H3,(H,11,17)
InChIKeyHMGIHRRUUVNRSQ-UHFFFAOYSA-N
XLogP-0.40
TPSA138.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-nitropyrazol-1-yl)methyl]-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 5311700
N-[2-[(4-methylbenzoyl)amino]ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084591
N-[2-(furan-2-carbonylamino)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084615
N-(3-morpholin-4-ylpropyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5303250
N-[2-(1,3-benzodioxole-5-carbonylamino)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5306458
3-[(4-nitropyrazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 5297003
N-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084652
3-(3,4-dimethoxyphenyl)-N-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083991
3-[(4-bromopyrazol-1-yl)methyl]-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 5311625
3-[(4-chloropyrazol-1-yl)methyl]-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084480
3-[(4-iodopyrazol-1-yl)methyl]-N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17085004
3-[(4-iodopyrazol-1-yl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17082998

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 17082806) is N-(2-methoxyethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is COCCNC(=O)c1nc(Cn2cc([N+](=O)[O-])cn2)no1.
What is the InChIKey of N-(2-methoxyethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is HMGIHRRUUVNRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O5/c1-20-3-2-11-9(17)10-13-8(14-21-10)6-15-5-7(4-12-15)16(18)19/h4-5H,2-3,6H2,1H3,(H,11,17).
What are the key properties of N-(2-methoxyethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
N-(2-methoxyethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 296.24 g/mol, XLogP of -0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 17082806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).